name Intraclash total energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds PIN3_1YNZ-12_1.PDB 2.81695 -8.59000 -0.32000 -4.35000 -5.02000 -2.75000 5.90000 -6.19000 0.10000 4.78000 0.97000 0.00000 0.00000 0.00000 0.06000 0.27000 0.00000 -0.14000 0.00000 -1.64000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_2.PDB 2.72001 -8.09000 -0.36000 -4.31000 -4.86000 -2.51000 5.79000 -6.04000 0.14000 4.82000 0.80000 0.00000 0.00000 0.00000 0.05000 0.26000 0.00000 -0.11000 0.00000 -1.49000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_3.PDB 2.49048 -9.24000 -0.40000 -4.53000 -5.66000 -2.90000 6.54000 -6.38000 0.49000 5.09000 0.69000 0.00000 0.00000 0.00000 0.07000 0.45000 0.00000 -0.34000 0.00000 -1.90000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_4.PDB 2.78181 -9.50000 -1.26000 -4.51000 -6.07000 -3.04000 7.55000 -6.87000 0.38000 5.55000 1.00000 0.00000 0.00000 0.00000 0.11000 0.39000 0.00000 -0.33000 0.00000 -1.99000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_5.PDB 2.71786 -8.57000 -0.35000 -4.17000 -5.04000 -2.68000 5.66000 -6.21000 0.09000 4.85000 0.99000 0.00000 0.00000 0.00000 0.05000 0.34000 0.00000 -0.19000 0.00000 -1.58000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_6.PDB 2.60936 -8.61000 -0.35000 -4.29000 -4.92000 -2.48000 5.47000 -6.21000 0.08000 4.70000 0.99000 0.00000 0.00000 0.00000 0.05000 0.25000 0.00000 -0.14000 0.00000 -1.52000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_7.PDB 3.03893 -8.40000 -0.36000 -4.34000 -4.85000 -2.64000 5.83000 -6.03000 0.26000 4.79000 0.86000 0.00000 0.00000 0.00000 0.06000 0.27000 0.00000 -0.18000 0.00000 -1.78000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_8.PDB 3.18334 -8.35000 -0.38000 -4.26000 -5.12000 -2.84000 5.70000 -6.13000 1.21000 4.65000 1.04000 0.00000 0.00000 0.00000 0.06000 0.30000 0.00000 -0.25000 0.00000 -2.03000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_9.PDB 2.90707 -8.74000 -1.23000 -4.55000 -5.39000 -2.72000 6.89000 -6.15000 0.15000 5.16000 0.96000 0.00000 0.00000 0.00000 0.06000 0.25000 0.00000 -0.08000 0.00000 -1.84000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_10.PDB 2.59175 -8.70000 -0.40000 -4.27000 -5.16000 -2.72000 5.65000 -6.16000 0.45000 4.79000 1.04000 0.00000 0.00000 0.00000 0.07000 0.36000 0.00000 -0.11000 0.00000 -1.88000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_11.PDB 2.62968 -8.27000 -0.36000 -4.46000 -5.05000 -2.70000 5.86000 -6.22000 0.26000 5.17000 1.02000 0.00000 0.00000 0.00000 0.05000 0.25000 0.00000 -0.18000 0.00000 -1.66000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_12.PDB 2.92839 -10.00000 -1.24000 -4.23000 -5.72000 -2.40000 6.17000 -7.02000 0.32000 4.89000 0.76000 0.00000 0.00000 0.00000 0.14000 0.54000 0.00000 -0.28000 0.00000 -1.38000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_13.PDB 3.66295 -9.90000 -1.23000 -4.42000 -5.17000 -2.82000 5.99000 -6.38000 0.24000 4.78000 0.79000 0.00000 0.00000 0.00000 0.24000 0.32000 0.00000 -0.21000 0.00000 -1.71000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_14.PDB 3.03547 -8.86000 -0.37000 -3.66000 -5.60000 -3.20000 6.63000 -6.35000 0.18000 4.88000 0.81000 0.00000 0.00000 0.00000 0.07000 0.25000 0.00000 -0.18000 0.00000 -2.07000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_15.PDB 2.71965 -8.59000 -0.32000 -3.66000 -5.48000 -2.58000 5.45000 -6.90000 1.52000 4.44000 0.74000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.31000 0.00000 -1.57000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_16.PDB 3.26777 -8.98000 -0.36000 -4.19000 -4.84000 -2.45000 4.94000 -6.07000 0.17000 4.50000 0.99000 0.00000 0.00000 0.00000 0.10000 0.26000 0.00000 -0.30000 0.00000 -1.48000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_17.PDB 2.99591 -9.67000 -0.36000 -4.47000 -5.04000 -2.73000 5.19000 -6.32000 0.16000 4.84000 0.67000 0.00000 0.00000 0.00000 0.11000 0.25000 0.00000 -0.07000 0.00000 -1.65000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_18.PDB 3.12409 -9.29000 -0.34000 -4.46000 -5.00000 -2.59000 5.20000 -6.29000 0.13000 4.45000 1.02000 0.00000 0.00000 0.00000 0.10000 0.28000 0.00000 0.02000 0.00000 -1.54000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_19.PDB 2.21292 -9.17000 -0.40000 -4.27000 -5.41000 -2.62000 5.91000 -6.61000 0.38000 5.07000 0.68000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -0.32000 0.00000 -1.60000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_20.PDB 2.27271 -8.01000 -0.39000 -4.29000 -5.00000 -2.91000 6.30000 -5.79000 0.12000 4.92000 1.00000 0.00000 0.00000 0.00000 0.03000 0.43000 0.00000 -0.13000 0.00000 -1.87000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_21.PDB 3.03442 -8.05000 -0.36000 -3.57000 -4.88000 -2.65000 5.60000 -6.15000 0.26000 4.44000 0.88000 0.00000 0.00000 0.00000 0.06000 0.23000 0.00000 -0.12000 0.00000 -1.55000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_22.PDB 2.94080 -8.04000 -0.37000 -4.02000 -4.69000 -2.56000 5.43000 -5.65000 0.14000 4.57000 0.84000 0.00000 0.00000 0.00000 0.03000 0.30000 0.00000 -0.27000 0.00000 -1.49000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_23.PDB 3.02034 -8.81000 -0.36000 -4.45000 -5.28000 -2.99000 6.14000 -6.03000 0.21000 5.13000 0.75000 0.00000 0.00000 0.00000 0.09000 0.34000 0.00000 -0.10000 0.00000 -1.92000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_24.PDB 2.48832 -7.92000 -0.27000 -4.04000 -5.40000 -3.00000 6.47000 -5.83000 0.15000 4.84000 1.09000 0.00000 0.00000 0.00000 0.08000 0.45000 0.00000 -0.16000 0.00000 -1.87000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_25.PDB 2.85268 -7.08000 -0.31000 -3.56000 -5.82000 -3.21000 8.00000 -6.84000 0.71000 5.11000 0.88000 0.00000 0.00000 0.00000 0.09000 0.32000 0.00000 -0.14000 0.00000 -2.00000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_26.PDB 3.45545 -8.06000 -0.33000 -3.61000 -4.91000 -2.35000 5.27000 -5.85000 0.24000 4.01000 0.78000 0.00000 0.00000 0.00000 0.07000 0.28000 0.00000 0.02000 0.00000 -1.39000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_27.PDB 2.72436 -7.72000 -0.39000 -4.40000 -4.98000 -2.73000 6.37000 -5.79000 0.16000 4.80000 1.02000 0.00000 0.00000 0.00000 0.06000 0.32000 0.00000 -0.15000 0.00000 -1.70000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_28.PDB 2.77674 -9.37000 -1.28000 -4.61000 -5.35000 -3.07000 7.17000 -5.89000 0.11000 4.97000 0.81000 0.00000 0.00000 0.00000 0.09000 0.35000 0.00000 -0.36000 0.00000 -1.96000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_29.PDB 2.80449 -8.27000 -0.36000 -4.35000 -4.88000 -2.49000 5.77000 -6.04000 0.12000 4.66000 0.96000 0.00000 0.00000 0.00000 0.06000 0.23000 0.00000 -0.25000 0.00000 -1.48000 0.00000 2.38000 65.00000 PIN3_1YNZ-12_30.PDB 2.76855 -7.56000 -0.39000 -4.45000 -4.80000 -2.59000 6.15000 -5.61000 0.16000 4.70000 0.97000 0.00000 0.00000 0.00000 0.06000 0.30000 0.00000 -0.22000 0.00000 -1.56000 0.00000 2.38000 65.00000